5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-1,3-benzoxazole

C20H16N4O2 — CID 121293171

IUPAC5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-1,3-benzoxazole
SMILESCc1nc2c(-c3ccc4ocnc4c3)cc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C20H16N4O2/c1-10-19(11(2)26-24-10)14-6-15(20-17(8-14)22-12(3)23-20)13-4-5-18-16(7-13)21-9-25-18/h4-9H,1-3H3,(H,22,23)
InChIKeyPABZMPPCKVATSY-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.95
Rot. Bonds2

About 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-1,3-benzoxazole

5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-1,3-benzoxazole (PubChem CID 121293171) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-1,3-benzoxazole
PubChem CID121293171
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-1,3-benzoxazole
SMILESCc1nc2c(-c3ccc4ocnc4c3)cc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C20H16N4O2/c1-10-19(11(2)26-24-10)14-6-15(20-17(8-14)22-12(3)23-20)13-4-5-18-16(7-13)21-9-25-18/h4-9H,1-3H3,(H,22,23)
InChIKeyPABZMPPCKVATSY-UHFFFAOYSA-N
XLogP4.95
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-1,3-benzoxazole?
The IUPAC name of 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-1,3-benzoxazole (CID 121293171) is 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-1,3-benzoxazole?
The canonical SMILES for 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-1,3-benzoxazole is Cc1nc2c(-c3ccc4ocnc4c3)cc(-c3c(C)noc3C)cc2[nH]1.
What is the InChIKey of 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-1,3-benzoxazole?
The InChIKey is PABZMPPCKVATSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-10-19(11(2)26-24-10)14-6-15(20-17(8-14)22-12(3)23-20)13-4-5-18-16(7-13)21-9-25-18/h4-9H,1-3H3,(H,22,23).
What are the key properties of 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-1,3-benzoxazole?
5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-1,3-benzoxazole has a molecular weight of 344.37 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 121293171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).